CID 65305901

4-(2,5-dichlorothiophen-3-yl)butan-1-amine

Structural Information

Molecular Formula
C8H11Cl2NS
SMILES
C1=C(SC(=C1CCCCN)Cl)Cl
InChI
InChI=1S/C8H11Cl2NS/c9-7-5-6(8(10)12-7)3-1-2-4-11/h5H,1-4,11H2
InChIKey
OFSHJCDAGYEWNN-UHFFFAOYSA-N
Compound name
4-(2,5-dichlorothiophen-3-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.99893 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00621 146.6
[M+Na]+ 245.98815 156.5
[M-H]- 221.99165 149.7
[M+NH4]+ 241.03275 168.5
[M+K]+ 261.96209 150.4
[M+H-H2O]+ 205.99619 143.0
[M+HCOO]- 267.99713 157.4
[M+CH3COO]- 282.01278 187.2
[M+Na-2H]- 243.97360 146.1
[M]+ 222.99838 150.5
[M]- 222.99948 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe